Molecule

ID:125062

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄O₂
Molecular Mass
166.21696
Exact Mass
166.09937969
Charge
0
InChI
InChI=1S/C10H14O2/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
InChIKey
BWCRDMRLKBPUTD-VIFPVBQESA-N
Canonic Smiles
OC[C@@H](OCc1ccccc1)C
Isomeric Smiles
O([C@@H](C)CO)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.685602
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5754956
LogD (pH = 7.4)
1.5754956
Log P
1.5754956
Molar Refractivity
48.3362
Polarizability
19.000443
Polar Surface Area
29.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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